Information card for entry 1568640

Structure parameters

• Formula: C12 H17 P S
• Calculated formula: C12 H17 P S
• Title of publication: Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.
• Authors of publication: Reichl, Stephan; Balázs, Gábor; Scheer, Manfred
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3834 - 3838
• a: 19.03 ± 0.0005 Å
• b: 6.1666 ± 0.0002 Å
• c: 10.2233 ± 0.0002 Å
• α: 90°
• β: 97.346 ± 0.002°
• γ: 90°
• Cell volume: 1189.86 ± 0.06 ų
• Cell temperature: 122.97 ± 0.11 K
• Ambient diffraction temperature: 122.97 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No